2-methyl-1,3,3a,7a-tetrahydroindazole

C8H12N2 — CID 147093749

IUPAC2-methyl-1,3,3a,7a-tetrahydroindazole
SMILESCN1CC2C=CC=CC2N1
InChIInChI=1S/C8H12N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7-9H,6H2,1H3
InChIKeyBJHVDVIUOBVKJQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.55
Rot. Bonds

About 2-methyl-1,3,3a,7a-tetrahydroindazole

2-methyl-1,3,3a,7a-tetrahydroindazole (PubChem CID 147093749) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-1,3,3a,7a-tetrahydroindazole.

Molecular Properties

Compound Name2-methyl-1,3,3a,7a-tetrahydroindazole
PubChem CID147093749
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-1,3,3a,7a-tetrahydroindazole
SMILESCN1CC2C=CC=CC2N1
InChIInChI=1S/C8H12N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7-9H,6H2,1H3
InChIKeyBJHVDVIUOBVKJQ-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,3a,7a-tetrahydroindazole?
The IUPAC name of 2-methyl-1,3,3a,7a-tetrahydroindazole (CID 147093749) is 2-methyl-1,3,3a,7a-tetrahydroindazole.
What is the SMILES notation for 2-methyl-1,3,3a,7a-tetrahydroindazole?
The canonical SMILES for 2-methyl-1,3,3a,7a-tetrahydroindazole is CN1CC2C=CC=CC2N1.
What is the InChIKey of 2-methyl-1,3,3a,7a-tetrahydroindazole?
The InChIKey is BJHVDVIUOBVKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-methyl-1,3,3a,7a-tetrahydroindazole?
2-methyl-1,3,3a,7a-tetrahydroindazole has a molecular weight of 136.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,3a,7a-tetrahydroindazole is sourced from PubChem (CID 147093749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).